1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H24N6OS/c1-24-10-7-21-18(24)14-25-8-4-9-26(12-11-25)20(27)15-28-19-13-22-16-5-2-3-6-17(16)23-19/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3